SCHEMBL8218633

SCHEMBL8218633

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N(C)Cc1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES O14684 18/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADAM17 P78536 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6865230 0.88 HPGD (0.48) PTGESMEN1KMT2AADAM17
SCHEMBL8418295 0.83 AOC3 (0.60) PTGESMEN1KMT2AADAM17
SCHEMBL16357733 0.79 ACACB (0.44) PTGESMEN1KMT2AADAM17
SCHEMBL8417363 0.75 HPGD (0.51) MEN1KMT2AADAM17
SCHEMBL8216582 0.74 PTPN11 (0.55) PTGESMEN1KMT2A
SCHEMBL9192563 0.72 PTGES (0.56) PTGES
SCHEMBL8212396 0.69 RAB9A (0.49) MEN1KMT2AADAM17
SCHEMBL8216640 0.69 NPSR1 (0.43) MEN1KMT2A
SCHEMBL16357691 0.68 NPSR1 (0.39) PTGES
SCHEMBL18317026 0.68 KMT2A (0.50) PTGESMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 PTGES 565/4885MEN1 1218/4885KMT2A 3890/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF PTGES 289/4885MEN1 1618/4885KMT2A 3845/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI PTGES 578/4885MEN1 1587/4885KMT2A 3859/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.